A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems

In this article we introduce a simple grand canonical screening (GCS) approach to accurately compute vapor pressures from molecular dynamics or Monte Carlo simulations. This procedure entails a screening of chemical potentials using a conventional grand canonical scheme, and therefore it is straight...

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Detalles Bibliográficos
Autores principales: Factorovich, M.H., Molinero, V., Scherlis, D.A.
Formato: JOUR
Materias:
Molecular dynamics
Monte Carlo methods
Quantum theory
Statistical mechanics
Thermodynamics
Vapor pressure
Coarse-grained
Finite-size systems
Gibbs ensemble
Grand canonical
Kelvin equation
Nanodroplet
Water modeling
Hydrostatic pressure
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v140_n6_p_Factorovich
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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